N-[4-(methylsulfonylamino)phenyl]-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-[4-(methylsulfonylamino)phenyl]-2,2-diphosphonato-ethanethioamide Openeye Name: N-[4-(methanesulfonamido)phenyl]-2,2-diphosphonato-thioacetamide CAS Name: N-[4-(methanesulfonamido)phenyl]-2,2-diphosphonatoethanethioamide IUPAC Name: N-[4-(methanesulfonamido)phenyl]-2,2-diphosphonatoethanethioamide Traditional Name: N-[4-(methanesulfonamido)phenyl]-2,2-diphosphonato-thioacetamide Formula: C9H10N2O8P2S2-4 MolecularWeight: 400.261822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C9H14N2O8P2S2/c1-23(18,19)11-7-4-2-6(3-5-7)10-8(22)9(20(12,13)14)21(15,16)17/h2-5,9,11H,1H3,(H,10,22)(H2,12,13,14)(H2,15,16,17)/p-4